Theoretical model for N-heterocyclic carbene-catalyzed decarboxylation reactions
Min Zhang, Xinghua Wang, Tingting Yang, Yan Qiao, Donghui Wei
Abstract
A general mechanism for N-heterocyclic carbene-catalyzed decarboxylation reactions has been studied using DFT calculations.
Topics & Concepts
DecarboxylationCarbeneChemistryCatalysisReaction mechanismMechanism (biology)Medicinal chemistryComputational chemistryCombinatorial chemistryPhotochemistryOrganic chemistryPhilosophyEpistemologyN-Heterocyclic Carbenes in Organic and Inorganic ChemistryCarbon dioxide utilization in catalysisCoordination Chemistry and Organometallics